1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole

C10H18N2O2 — CID 103184144

IUPAC1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole
SMILESCOCCCOCCn1ccc(C)n1
InChIInChI=1S/C10H18N2O2/c1-10-4-5-12(11-10)6-9-14-8-3-7-13-2/h4-5H,3,6-9H2,1-2H3
InChIKeyGBJXSONRUBDYPT-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.24
Rot. Bonds7

About 1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole

1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole (PubChem CID 103184144) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole
PubChem CID103184144
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole
SMILESCOCCCOCCn1ccc(C)n1
InChIInChI=1S/C10H18N2O2/c1-10-4-5-12(11-10)6-9-14-8-3-7-13-2/h4-5H,3,6-9H2,1-2H3
InChIKeyGBJXSONRUBDYPT-UHFFFAOYSA-N
XLogP1.24
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(2-methoxyethyl)-3-methylpyrazole
CID 153333995
1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazol-4-amine
CID 165472982
N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19559507
1-(3-fluoropropyl)-3-methylpyrazole
CID 81114293
N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555927
3-iodo-1-(2-methoxyethyl)pyrazole
CID 79788054
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-iodopyrazole
CID 104568890
1-(3-methoxypropyl)-3-propan-2-ylpyrazole
CID 129255782
N-[[1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103184324
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole
CID 118157634
1-ethyl-3-methylpyrazole
CID 12002774

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole (CID 103184144) is 1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole is COCCCOCCn1ccc(C)n1.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole?
The InChIKey is GBJXSONRUBDYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10-4-5-12(11-10)6-9-14-8-3-7-13-2/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole?
1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole has a molecular weight of 198.27 g/mol, XLogP of 1.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole is sourced from PubChem (CID 103184144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).